4-[4-[(5-cyclopentylsulfanyl-4-pyridin-3-yl-1,2,4-triazol-3-yl)methoxy]phenyl]benzamide

C26H25N5O2S — CID 71520541

IUPAC4-[4-[(5-cyclopentylsulfanyl-4-pyridin-3-yl-1,2,4-triazol-3-yl)methoxy]phenyl]benzamide
SMILESNC(=O)c1ccc(-c2ccc(OCc3nnc(SC4CCCC4)n3-c3cccnc3)cc2)cc1
InChIInChI=1S/C26H25N5O2S/c27-25(32)20-9-7-18(8-10-20)19-11-13-22(14-12-19)33-17-24-29-30-26(34-23-5-1-2-6-23)31(24)21-4-3-15-28-16-21/h3-4,7-16,23H,1-2,5-6,17H2,(H2,27,32)
InChIKeyNLDABNNZVNOFPM-UHFFFAOYSA-N
MW471.59 g/mol
LogP5.04
Rot. Bonds8

About 4-[4-[(5-cyclopentylsulfanyl-4-pyridin-3-yl-1,2,4-triazol-3-yl)methoxy]phenyl]benzamide

4-[4-[(5-cyclopentylsulfanyl-4-pyridin-3-yl-1,2,4-triazol-3-yl)methoxy]phenyl]benzamide (PubChem CID 71520541) has the molecular formula C26H25N5O2S and a molecular weight of 471.59 g/mol. Its IUPAC name is 4-[4-[(5-cyclopentylsulfanyl-4-pyridin-3-yl-1,2,4-triazol-3-yl)methoxy]phenyl]benzamide.

Molecular Properties

Compound Name4-[4-[(5-cyclopentylsulfanyl-4-pyridin-3-yl-1,2,4-triazol-3-yl)methoxy]phenyl]benzamide
PubChem CID71520541
Molecular FormulaC26H25N5O2S
Molecular Weight471.59 g/mol
Exact Mass471.17
IUPAC Name4-[4-[(5-cyclopentylsulfanyl-4-pyridin-3-yl-1,2,4-triazol-3-yl)methoxy]phenyl]benzamide
SMILESNC(=O)c1ccc(-c2ccc(OCc3nnc(SC4CCCC4)n3-c3cccnc3)cc2)cc1
InChIInChI=1S/C26H25N5O2S/c27-25(32)20-9-7-18(8-10-20)19-11-13-22(14-12-19)33-17-24-29-30-26(34-23-5-1-2-6-23)31(24)21-4-3-15-28-16-21/h3-4,7-16,23H,1-2,5-6,17H2,(H2,27,32)
InChIKeyNLDABNNZVNOFPM-UHFFFAOYSA-N
XLogP5.04
TPSA95.92 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.59
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-[4-[(5-cyclopentylsulfanyl-4-pyridin-3-yl-1,2,4-triazol-3-yl)methoxy]phenyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[4-[(5-cyclopentylsulfanyl-4-pyridin-3-yl-1,2,4-triazol-3-yl)methoxy]phenyl]benzamide?
The IUPAC name of 4-[4-[(5-cyclopentylsulfanyl-4-pyridin-3-yl-1,2,4-triazol-3-yl)methoxy]phenyl]benzamide (CID 71520541) is 4-[4-[(5-cyclopentylsulfanyl-4-pyridin-3-yl-1,2,4-triazol-3-yl)methoxy]phenyl]benzamide.
What is the SMILES notation for 4-[4-[(5-cyclopentylsulfanyl-4-pyridin-3-yl-1,2,4-triazol-3-yl)methoxy]phenyl]benzamide?
The canonical SMILES for 4-[4-[(5-cyclopentylsulfanyl-4-pyridin-3-yl-1,2,4-triazol-3-yl)methoxy]phenyl]benzamide is NC(=O)c1ccc(-c2ccc(OCc3nnc(SC4CCCC4)n3-c3cccnc3)cc2)cc1.
What is the InChIKey of 4-[4-[(5-cyclopentylsulfanyl-4-pyridin-3-yl-1,2,4-triazol-3-yl)methoxy]phenyl]benzamide?
The InChIKey is NLDABNNZVNOFPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N5O2S/c27-25(32)20-9-7-18(8-10-20)19-11-13-22(14-12-19)33-17-24-29-30-26(34-23-5-1-2-6-23)31(24)21-4-3-15-28-16-21/h3-4,7-16,23H,1-2,5-6,17H2,(H2,27,32).
What are the key properties of 4-[4-[(5-cyclopentylsulfanyl-4-pyridin-3-yl-1,2,4-triazol-3-yl)methoxy]phenyl]benzamide?
4-[4-[(5-cyclopentylsulfanyl-4-pyridin-3-yl-1,2,4-triazol-3-yl)methoxy]phenyl]benzamide has a molecular weight of 471.59 g/mol, XLogP of 5.04, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(5-cyclopentylsulfanyl-4-pyridin-3-yl-1,2,4-triazol-3-yl)methoxy]phenyl]benzamide is sourced from PubChem (CID 71520541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).